Literature DB >> 14505397

High-resolution 17O NMR spectroscopy of wadsleyite (beta-Mg2SiO4).

Sharon E Ashbrook1, Andrew J Berry, William O Hibberson, Stefan Steuernagel, Stephen Wimperis.   

Abstract

The sensitivity of high-resolution 17O (I = 5/2) NMR spectroscopy of solids has advanced significantly in recent years. Here, we show that excellent results are now obtainable from milligram quantities of 17O-enriched materials, thereby allowing the technique to be applied to silicate phases synthesized under very high pressures in a multiple-anvil apparatus. We report the first 17O NMR study of beta-Mg2SiO4 (9.6 mg of 35% 17O-enriched material, synthesized at p = 16 GPa and T = 1873 K), a dense phase believed to have a significant role in the Earth's mantle. Using STMAS at magnetic fields of B0 = 9.4 and 11.7 T and MQMAS at B0 = 18.8 T, we have resolved and assigned all four crystallographically distinct O sites and determined their chemical shift and quadrupolar parameters.

Entities:  

Year:  2003        PMID: 14505397     DOI: 10.1021/ja036777k

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  3 in total

1.  Efficient amplitude-modulated pulses for triple- to single-quantum coherence conversion in MQMAS NMR.

Authors:  Henri Colaux; Daniel M Dawson; Sharon E Ashbrook
Journal:  J Phys Chem A       Date:  2014-07-28       Impact factor: 2.781

2.  A Picture of Disorder in Hydrous Wadsleyite-Under the Combined Microscope of Solid-State NMR Spectroscopy and Ab Initio Random Structure Searching.

Authors:  David McKay; Robert F Moran; Daniel M Dawson; John M Griffin; Simone Sturniolo; Chris J Pickard; Andrew J Berry; Sharon E Ashbrook
Journal:  J Am Chem Soc       Date:  2019-02-06       Impact factor: 15.419

3.  Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite.

Authors:  Robert F Moran; David McKay; Chris J Pickard; Andrew J Berry; John M Griffin; Sharon E Ashbrook
Journal:  Phys Chem Chem Phys       Date:  2016-03-29       Impact factor: 3.676

  3 in total

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